2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide

C23H32N4O2 — CID 10572854

IUPAC2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide
SMILESCOc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1
InChIInChI=1S/C23H32N4O2/c1-25(2)23(28)19-9-4-5-10-20(19)24-13-8-14-26-15-17-27(18-16-26)21-11-6-7-12-22(21)29-3/h4-7,9-12,24H,8,13-18H2,1-3H3
InChIKeyGEDPLZQOWAXARY-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.02
Rot. Bonds8

About 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide (PubChem CID 10572854) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide
PubChem CID10572854
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide
SMILESCOc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1
InChIInChI=1S/C23H32N4O2/c1-25(2)23(28)19-9-4-5-10-20(19)24-13-8-14-26-15-17-27(18-16-26)21-11-6-7-12-22(21)29-3/h4-7,9-12,24H,8,13-18H2,1-3H3
InChIKeyGEDPLZQOWAXARY-UHFFFAOYSA-N
XLogP3.02
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide (CID 10572854) is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide is COc1ccccc1N1CCN(CCCNc2ccccc2C(=O)N(C)C)CC1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide?
The InChIKey is GEDPLZQOWAXARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-25(2)23(28)19-9-4-5-10-20(19)24-13-8-14-26-15-17-27(18-16-26)21-11-6-7-12-22(21)29-3/h4-7,9-12,24H,8,13-18H2,1-3H3.
What are the key properties of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide?
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide has a molecular weight of 396.54 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 10572854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).